UCSF

ZINC06171611

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2006 24 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.94 6.43 -22.07 2 5 0 74 325.343 3
Hi High (pH 8-9.5) 4.39 4.86 -50.31 1 5 -1 77 324.335 3
Hi High (pH 8-9.5) 4.39 4.54 -63.3 1 5 -1 77 324.335 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )